type of chemical entity | Q113145171 |
3-Oxo-olean-12-en-28-oic acid | Q104997867 |
P233 | canonical SMILES | O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1 |
P231 | CAS Registry Number | 17990-42-0 |
P8494 | DSSTOX compound identifier | DTXCID301367781 |
P3117 | DSSTox substance ID | DTXSID90939279 |
P2057 | Human Metabolome Database ID | HMDB0304711 |
P234 | InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1 |
P235 | InChIKey | FMIMFCRXYXVFTA-FUAOEXFOSA-N |
P2017 | isomeric SMILES | C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C |
P11199 | Probes And Drugs ID | PD063627 |
P662 | PubChem CID | 12313704 |
P2877 | SureChEMBL ID | SCHEMBL246220 |
P11089 | UniChem compound ID | 184644 |
P703 | found in taxon | Vitis vinifera | Q30046 |
Pistacia terebinthus | Q63045 | ||
Salvia sclarea | Q157872 | ||
Ziziphus mauritiana | Q327859 | ||
Lantana camara | Q332469 | ||
Stauntonia hexaphylla | Q505686 | ||
Erythrina crista-galli | Q162849 | ||
Cedrela odorata | Q163004 | ||
Maytenus canariensis | Q537145 | ||
Ficus microcarpa | Q714180 | ||
Salvia caespitosa | Q769905 | ||
Plumeria obtusa | Q956237 | ||
Liquidambar formosana | Q986006 | ||
Ludwigia octovalvis | Q986311 | ||
Cedrela fissilis | Q936202 | ||
Ekebergia capensis | Q939334 | ||
Lantana montevidensis | Q2745947 | ||
Croton betulaster | Q3004004 | ||
Scrophularia ningpoensis | Q3336390 | ||
Ixora coccinea | Q1856114 | ||
Amphipterygium adstringens | Q1960736 | ||
Cedrela montana | Q4503668 | ||
Cyclolepis genistoides | Q5198731 | ||
Brucea javanica | Q7691623 | ||
Viburnum erubescens | Q15232264 | ||
Uncaria sinensis | Q10751885 | ||
Hibiscus taiwanensis | Q10914994 | ||
Schefflera venulosa | Q10953355 | ||
Patrinia rupestris | Q11049821 | ||
Ziziphus jujuba | Q11181633 | ||
Rubia yunnanensis | Q15251742 | ||
Orthopterygium | Q15268725 | ||
Myrcia guianensis | Q15375062 | ||
Junellia spissa | Q15429888 | ||
Hedyotis lawsoniae | Q15461999 | ||
Ekebergia benguelensis | Q15544624 | ||
Curio talinoides | Q50840698 | ||
Osteospermum ilicifolium | Q65929745 | ||
Eriocapitella tomentosa | Q89116411 | ||
Heptapleurum heptaphyllum | Q89145635 | ||
Lantana tiliaefolia | Q104387407 | ||
Salvia palaefolia | Q104846090 | ||
Boronia gracilipes | Q15393745 | ||
Gustavia longifolia | Q15399283 | ||
Junellia seriphioides | Q15429821 | ||
Ekebergia pterophylla | Q15544829 | ||
Hertia pallens | Q15561808 | ||
Mulguraea tridens | Q28821168 | ||
P2067 | mass | 454.344695332 | |
P3364 | stereoisomer of | 3-Oxogermanica-12-ene-28-oic acid | Q104997860 |
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Q104997860 | 3-Oxogermanica-12-ene-28-oic acid | stereoisomer of | P3364 |
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